Geometry & MOs

Info

ID:	23692
PubChem CID:	605402
Reduced:	ClOSN2C6H7 (1)
Stoich.:	ABCD2E6F7 (1)
Weight, g/mol:	189.996762
ΔH_f, kcal/mol:	-29.16
Dipole, Da:	5.32
IP(EA), eV:	-9.28(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CCSC1=NC=C(C(=O)N1)Cl

DOS

IR

Vibrations